SCHEMBL24681111

SCHEMBL24681111

CN([C@@H]1CCN(c2ccc(Br)c(F)c2)C1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 8/20 0.45
▸ PDE10A Q9Y233 1/20 0.38
▸ NOTUM Q6P988 2/20 0.36
▸ RORC P51449 4/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29914459 0.85 NPY5R (0.48) NPY5RNOTUMRORCHSD11B1
SCHEMBL24680782 0.85 NPY5R (0.48) NPY5RNOTUMRORCHSD11B1
SCHEMBL26881412 0.80 NPY5R (0.56) NPY5RPDE10AHTR2BHTR6
SCHEMBL26881395 0.80 NPY5R (0.56) NPY5RPDE10AHTR2BHTR6
SCHEMBL29914530 0.79 PDE10A (0.38) NPY5RPDE10AHSD11B1
SCHEMBL24680787 0.79 PDE10A (0.38) NPY5RPDE10AHSD11B1
SCHEMBL24681279 0.79 PDE10A (0.38) NPY5RPDE10AHSD11B1
SCHEMBL29914526 0.79 PDE10A (0.38) NPY5RPDE10AHSD11B1
SCHEMBL29157657 0.77 LSS (0.55) NPY5RPDE10ANOTUM
SCHEMBL29157649 0.77 LSS (0.55) NPY5RPDE10ANOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
Send feedback